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	hartrees
Energy at 0K	-2636.896509
Energy at 298.15K	-2636.900457
HF Energy	-2636.896509
Nuclear repulsion energy	90.553432

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3284	3132	11.76
2	A'	1153	1099	50.57
3	A'	627	598	1.04

Atom	x (Å)	y (Å)
H1	-0.976	1.688
O2	0.023	1.500
Br3	0.023	-0.391

	H1	O2	Br3
H1		1.0161	2.3068
O2	1.0161		1.8909
Br3	2.3068	1.8909

Number	Element	Mulliken
1	H	0.359
2	O	-0.439
3	Br	0.079

All results from a given calculation for HOBr (Hypobromous acid)

using model chemistry: PBEPBE/3-21G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-1.686	0.007	0.000	1.686
CHELPG
AIM
ESP

	x	y	z
x	2.194	-0.324	0.000
y	-0.324	3.911	0.000
z	0.000	0.000	1.589

<r²>	41.236
(<r²>)^1/2	6.422